Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19620
Substrate
BDBM19583
Meas. Tech.
Enzyme Inhibition Assay
Ki
4560±n/a nM
Citation
 Tully, DC; Liu, H; Alper, PB; Chatterjee, AK; Epple, R; Roberts, MJ; Williams, JA; Nguyen, KT; Woodmansee, DH; Tumanut, C; Li, J; Spraggon, G; Chang, J; Tuntland, T; Harris, JL; Karanewsky, DS Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: heterocyclic P3. Bioorg Med Chem Lett 16:1975-80 (2006) [PubMed]  Article 
Target
Name:
Cathepsin K
Synonyms:
CATK_HUMAN | CTSK | CTSO | CTSO2 | Cathepsin O | Cathepsin O2 | Cathepsin X
Type:
Enzyme
Mol. Mass.:
36975.68
Organism:
Homo sapiens (Human)
Description:
P43235
Residue:
329
Sequence:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM
  
Inhibitor
Name:
BDBM19620
Synonyms:
(2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyclohexyl-N-{2-[(4-fluorophenyl)amino]ethyl}propanamide | Heterocyclic arylaminoethyl amide, 7f
Type:
Small organic molecule
Emp. Form.:
C24H28ClFN4O2
Mol. Mass.:
458.956
SMILES:
Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3cccc(Cl)c3o2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19583
Synonyms:
7-amino-3-carbamoylmethyl-4-methyl coumarin labeled fluorescent peptide | Ac-Lys-His-Pro-Lys-ACMC
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: